SCHEMBL3604720

SCHEMBL3604720

CC(=O)Oc1c(C)cc(NC(=O)C2c3cc(N4CCN(Cc5ccccc5)CC4)ccc3CCN2C(=O)C(C)(C)C)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPY2R P49146 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35
TMEM97 Q5BJF2 3/20 0.35
SIGMAR1 Q99720 3/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3600711 0.89 CTSS (0.37) HTTNPC1RAB9AALDH1A1TMEM97
SCHEMBL3607481 0.88 TMEM97 (0.37) MAPTLMNANPSR1TMEM97SIGMAR1
SCHEMBL3612843 0.80 GHSR (0.35) LMNAKMT2APPARDPPARA
SCHEMBL3608522 0.78 LMNA (0.38) MAPTLMNAHTTSMN1; SMN2NPC1
SCHEMBL3595832 0.77 CTSS (0.39) LMNAHTTNPC1RAB9AKMT2A
SCHEMBL3605947 0.77 TMEM97 (0.38) TMEM97SIGMAR1ADRA2AADRA2BHTR2C
SCHEMBL3603957 0.75 GHSR (0.35)
SCHEMBL3610576 0.75 GHSR (0.40) NPSR1KMT2AALDH1A1TSHR
SCHEMBL3610528 0.74 GHSR (0.30) PPARDPPARA
SCHEMBL3608110 0.74 GHSR (0.39) LMNANPSR1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2010-01-28 US disclosed
EP-1857444-A1 TETRAHYDROISOQUINOLINE COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2007-11-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100022582-A1 Tetrahydroisoquinoline Compound and Medicinal Use Thereof ACAT1, ACAT2, LCAT MAPT 260/4885LMNA 4557/4885NPSR1 3525/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.